USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 246 SER OG : rot 180:sc=-0.00175 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 SER OG : rot -103:sc= 1.16 USER MOD Single : A 254 THR OG1 : rot 81:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 245 -0.450 9.924 3.993 1.00 0.00 N ATOM 130 CA LEU A 245 -1.644 9.123 3.777 1.00 0.00 C ATOM 131 C LEU A 245 -1.474 8.298 2.501 1.00 0.00 C ATOM 132 O LEU A 245 -1.743 7.097 2.493 1.00 0.00 O ATOM 133 CB LEU A 245 -2.890 10.010 3.774 1.00 0.00 C ATOM 134 CG LEU A 245 -3.489 10.330 5.145 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.352 11.592 5.086 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.264 9.132 5.699 1.00 0.00 C ATOM 0 HA LEU A 245 -1.784 8.418 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.642 10.949 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.656 9.524 3.169 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.670 10.531 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.765 11.797 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.741 12.436 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.165 11.444 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.679 9.387 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -5.074 8.875 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.592 8.280 5.802 1.00 0.00 H new ATOM 148 N SER A 246 -1.028 8.973 1.452 1.00 0.00 N ATOM 149 CA SER A 246 -0.851 8.325 0.164 1.00 0.00 C ATOM 150 C SER A 246 0.089 7.126 0.304 1.00 0.00 C ATOM 151 O SER A 246 -0.143 6.077 -0.293 1.00 0.00 O ATOM 152 CB SER A 246 -0.309 9.306 -0.878 1.00 0.00 C ATOM 153 OG SER A 246 -0.306 8.746 -2.189 1.00 0.00 O ATOM 0 H SER A 246 -0.784 9.963 1.468 1.00 0.00 H new ATOM 0 HA SER A 246 -1.825 7.976 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.915 10.212 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 246 0.705 9.599 -0.607 1.00 0.00 H new ATOM 0 HG SER A 246 0.045 9.404 -2.825 1.00 0.00 H new ATOM 159 N ILE A 247 1.131 7.323 1.098 1.00 0.00 N ATOM 160 CA ILE A 247 2.108 6.271 1.326 1.00 0.00 C ATOM 161 C ILE A 247 1.478 5.177 2.191 1.00 0.00 C ATOM 162 O ILE A 247 1.580 3.995 1.873 1.00 0.00 O ATOM 163 CB ILE A 247 3.397 6.853 1.910 1.00 0.00 C ATOM 164 CG1 ILE A 247 4.015 7.879 0.959 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.382 5.742 2.277 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.441 8.235 1.389 1.00 0.00 C ATOM 0 H ILE A 247 1.320 8.195 1.592 1.00 0.00 H new ATOM 0 HA ILE A 247 2.396 5.806 0.383 1.00 0.00 H new ATOM 0 HB ILE A 247 3.149 7.379 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 247 4.026 7.480 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.401 8.780 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.290 6.182 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.928 5.084 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.631 5.167 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.858 8.966 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.423 8.656 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.058 7.336 1.383 1.00 0.00 H new ATOM 178 N SER A 248 0.843 5.613 3.269 1.00 0.00 N ATOM 179 CA SER A 248 0.264 4.683 4.223 1.00 0.00 C ATOM 180 C SER A 248 -0.716 3.747 3.514 1.00 0.00 C ATOM 181 O SER A 248 -0.858 2.586 3.895 1.00 0.00 O ATOM 182 CB SER A 248 -0.440 5.427 5.361 1.00 0.00 C ATOM 183 OG SER A 248 -0.990 4.532 6.324 1.00 0.00 O ATOM 0 H SER A 248 0.717 6.598 3.503 1.00 0.00 H new ATOM 0 HA SER A 248 1.071 4.092 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 248 0.269 6.095 5.850 1.00 0.00 H new ATOM 0 HB3 SER A 248 -1.234 6.050 4.950 1.00 0.00 H new ATOM 0 HG SER A 248 -1.429 5.045 7.034 1.00 0.00 H new ATOM 189 N VAL A 249 -1.369 4.287 2.495 1.00 0.00 N ATOM 190 CA VAL A 249 -2.392 3.543 1.782 1.00 0.00 C ATOM 191 C VAL A 249 -1.734 2.683 0.702 1.00 0.00 C ATOM 192 O VAL A 249 -1.884 1.463 0.697 1.00 0.00 O ATOM 193 CB VAL A 249 -3.444 4.503 1.223 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.358 3.795 0.223 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.257 5.143 2.351 1.00 0.00 C ATOM 0 H VAL A 249 -1.209 5.232 2.146 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.914 2.868 2.460 1.00 0.00 H new ATOM 0 HB VAL A 249 -2.921 5.299 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.096 4.501 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.763 3.410 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.868 2.969 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -4.998 5.821 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.763 4.364 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.590 5.700 3.009 1.00 0.00 H new ATOM 205 N LEU A 250 -1.017 3.356 -0.190 1.00 0.00 N ATOM 206 CA LEU A 250 -0.490 2.699 -1.373 1.00 0.00 C ATOM 207 C LEU A 250 0.542 1.651 -0.952 1.00 0.00 C ATOM 208 O LEU A 250 0.549 0.537 -1.473 1.00 0.00 O ATOM 209 CB LEU A 250 0.051 3.733 -2.362 1.00 0.00 C ATOM 210 CG LEU A 250 -0.982 4.680 -2.976 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.300 5.835 -3.711 1.00 0.00 C ATOM 212 CD2 LEU A 250 -1.954 3.918 -3.881 1.00 0.00 C ATOM 0 H LEU A 250 -0.790 4.348 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.283 2.170 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.806 4.332 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.555 3.204 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.569 5.116 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.057 6.493 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.317 6.398 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.327 5.438 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.678 4.614 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.400 3.436 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.477 3.161 -3.297 1.00 0.00 H new ATOM 224 N LEU A 251 1.391 2.047 -0.015 1.00 0.00 N ATOM 225 CA LEU A 251 2.470 1.180 0.431 1.00 0.00 C ATOM 226 C LEU A 251 1.878 -0.107 1.008 1.00 0.00 C ATOM 227 O LEU A 251 2.305 -1.204 0.652 1.00 0.00 O ATOM 228 CB LEU A 251 3.387 1.925 1.402 1.00 0.00 C ATOM 229 CG LEU A 251 4.731 1.258 1.701 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.836 2.302 1.875 1.00 0.00 C ATOM 231 CD2 LEU A 251 4.625 0.329 2.913 1.00 0.00 C ATOM 0 H LEU A 251 1.354 2.955 0.448 1.00 0.00 H new ATOM 0 HA LEU A 251 3.101 0.892 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.579 2.919 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.854 2.060 2.343 1.00 0.00 H new ATOM 0 HG LEU A 251 5.003 0.641 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.780 1.800 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 251 5.932 2.886 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.584 2.964 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 251 5.594 -0.132 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 251 4.319 0.904 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 251 3.887 -0.448 2.713 1.00 0.00 H new ATOM 243 N SER A 252 0.906 0.069 1.890 1.00 0.00 N ATOM 244 CA SER A 252 0.271 -1.065 2.542 1.00 0.00 C ATOM 245 C SER A 252 -0.518 -1.881 1.520 1.00 0.00 C ATOM 246 O SER A 252 -0.610 -3.104 1.633 1.00 0.00 O ATOM 247 CB SER A 252 -0.645 -0.605 3.677 1.00 0.00 C ATOM 248 OG SER A 252 -1.781 0.104 3.192 1.00 0.00 O ATOM 0 H SER A 252 0.542 0.980 2.169 1.00 0.00 H new ATOM 0 HA SER A 252 1.051 -1.693 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 252 -0.976 -1.471 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.084 0.033 4.360 1.00 0.00 H new ATOM 0 HG SER A 252 -1.653 1.065 3.335 1.00 0.00 H new ATOM 254 N LEU A 253 -1.071 -1.176 0.544 1.00 0.00 N ATOM 255 CA LEU A 253 -1.838 -1.823 -0.507 1.00 0.00 C ATOM 256 C LEU A 253 -0.894 -2.642 -1.389 1.00 0.00 C ATOM 257 O LEU A 253 -1.263 -3.712 -1.872 1.00 0.00 O ATOM 258 CB LEU A 253 -2.662 -0.792 -1.282 1.00 0.00 C ATOM 259 CG LEU A 253 -3.742 -1.355 -2.207 1.00 0.00 C ATOM 260 CD1 LEU A 253 -4.983 -1.771 -1.414 1.00 0.00 C ATOM 261 CD2 LEU A 253 -4.081 -0.362 -3.321 1.00 0.00 C ATOM 0 H LEU A 253 -1.003 -0.162 0.459 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.560 -2.518 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -3.138 -0.124 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.980 -0.186 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 253 -3.349 -2.253 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.735 -2.168 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.711 -2.538 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.388 -0.904 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.851 -0.786 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.446 0.567 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -3.187 -0.158 -3.911 1.00 0.00 H new ATOM 273 N THR A 254 0.305 -2.111 -1.573 1.00 0.00 N ATOM 274 CA THR A 254 1.295 -2.768 -2.408 1.00 0.00 C ATOM 275 C THR A 254 1.886 -3.979 -1.683 1.00 0.00 C ATOM 276 O THR A 254 2.174 -5.000 -2.306 1.00 0.00 O ATOM 277 CB THR A 254 2.344 -1.727 -2.806 1.00 0.00 C ATOM 278 OG1 THR A 254 1.627 -0.805 -3.622 1.00 0.00 O ATOM 279 CG2 THR A 254 3.411 -2.298 -3.740 1.00 0.00 C ATOM 0 H THR A 254 0.614 -1.232 -1.158 1.00 0.00 H new ATOM 0 HA THR A 254 0.845 -3.162 -3.319 1.00 0.00 H new ATOM 0 HB THR A 254 2.821 -1.332 -1.909 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.129 -0.182 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.130 -1.518 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 254 3.926 -3.120 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 254 2.939 -2.663 -4.652 1.00 0.00 H new ATOM 287 N VAL A 255 2.048 -3.825 -0.377 1.00 0.00 N ATOM 288 CA VAL A 255 2.526 -4.920 0.451 1.00 0.00 C ATOM 289 C VAL A 255 1.478 -6.034 0.470 1.00 0.00 C ATOM 290 O VAL A 255 1.818 -7.212 0.370 1.00 0.00 O ATOM 291 CB VAL A 255 2.875 -4.403 1.848 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.952 -5.555 2.854 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.180 -3.606 1.829 1.00 0.00 C ATOM 0 H VAL A 255 1.857 -2.960 0.128 1.00 0.00 H new ATOM 0 HA VAL A 255 3.441 -5.343 0.036 1.00 0.00 H new ATOM 0 HB VAL A 255 2.077 -3.731 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.201 -5.161 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.989 -6.063 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.721 -6.261 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.404 -3.251 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.992 -4.245 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.076 -2.754 1.158 1.00 0.00 H new ATOM 303 N PHE A 256 0.226 -5.624 0.600 1.00 0.00 N ATOM 304 CA PHE A 256 -0.878 -6.567 0.577 1.00 0.00 C ATOM 305 C PHE A 256 -1.001 -7.234 -0.795 1.00 0.00 C ATOM 306 O PHE A 256 -1.332 -8.415 -0.889 1.00 0.00 O ATOM 307 CB PHE A 256 -2.153 -5.772 0.860 1.00 0.00 C ATOM 308 CG PHE A 256 -3.433 -6.609 0.811 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.543 -7.729 1.575 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.462 -6.234 0.003 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.731 -8.506 1.529 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.649 -7.011 -0.042 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.759 -8.130 0.722 1.00 0.00 C ATOM 0 H PHE A 256 -0.049 -4.649 0.722 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.714 -7.349 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.070 -5.311 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.233 -4.963 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.727 -8.027 2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.375 -5.345 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.818 -9.396 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.465 -6.713 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.663 -8.720 0.688 1.00 0.00 H new ATOM 323 N LEU A 257 -0.727 -6.448 -1.826 1.00 0.00 N ATOM 324 CA LEU A 257 -0.716 -6.968 -3.183 1.00 0.00 C ATOM 325 C LEU A 257 0.435 -7.965 -3.332 1.00 0.00 C ATOM 326 O LEU A 257 0.302 -8.973 -4.026 1.00 0.00 O ATOM 327 CB LEU A 257 -0.672 -5.823 -4.196 1.00 0.00 C ATOM 328 CG LEU A 257 -0.749 -6.227 -5.669 1.00 0.00 C ATOM 329 CD1 LEU A 257 -2.135 -6.777 -6.015 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.350 -5.064 -6.580 1.00 0.00 C ATOM 0 H LEU A 257 -0.511 -5.454 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.638 -7.510 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.497 -5.144 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.250 -5.263 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.032 -7.030 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -2.163 -7.057 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.342 -7.653 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.888 -6.013 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.414 -5.379 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -1.024 -4.224 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.672 -4.760 -6.355 1.00 0.00 H new ATOM 342 N LEU A 258 1.538 -7.651 -2.669 1.00 0.00 N ATOM 343 CA LEU A 258 2.675 -8.554 -2.639 1.00 0.00 C ATOM 344 C LEU A 258 2.257 -9.874 -1.991 1.00 0.00 C ATOM 345 O LEU A 258 2.517 -10.947 -2.533 1.00 0.00 O ATOM 346 CB LEU A 258 3.872 -7.886 -1.957 1.00 0.00 C ATOM 347 CG LEU A 258 5.249 -8.238 -2.522 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.351 -7.448 -1.813 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.497 -9.746 -2.466 1.00 0.00 C ATOM 0 H LEU A 258 1.668 -6.784 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 258 3.003 -8.786 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.742 -6.805 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.857 -8.151 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 258 5.271 -7.948 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.320 -7.717 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.179 -6.380 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.340 -7.683 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.483 -9.968 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.448 -10.085 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.737 -10.262 -3.053 1.00 0.00 H new ATOM 361 N VAL A 259 1.615 -9.754 -0.838 1.00 0.00 N ATOM 362 CA VAL A 259 1.167 -10.925 -0.104 1.00 0.00 C ATOM 363 C VAL A 259 0.281 -11.782 -1.012 1.00 0.00 C ATOM 364 O VAL A 259 0.325 -13.009 -0.948 1.00 0.00 O ATOM 365 CB VAL A 259 0.464 -10.498 1.186 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.376 -11.641 1.758 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.473 -9.989 2.218 1.00 0.00 C ATOM 0 H VAL A 259 1.394 -8.863 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 259 2.018 -11.538 0.193 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.210 -9.677 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.865 -11.310 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.132 -11.937 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.269 -12.492 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.947 -9.692 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.184 -10.781 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.008 -9.131 1.811 1.00 0.00 H new ATOM 377 N ILE A 260 -0.502 -11.101 -1.834 1.00 0.00 N ATOM 378 CA ILE A 260 -1.417 -11.782 -2.734 1.00 0.00 C ATOM 379 C ILE A 260 -0.617 -12.490 -3.829 1.00 0.00 C ATOM 380 O ILE A 260 -0.942 -13.613 -4.212 1.00 0.00 O ATOM 381 CB ILE A 260 -2.468 -10.808 -3.270 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.524 -10.500 -2.207 1.00 0.00 C ATOM 383 CG2 ILE A 260 -3.093 -11.333 -4.564 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.389 -9.309 -2.623 1.00 0.00 C ATOM 0 H ILE A 260 -0.522 -10.083 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.974 -12.551 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.971 -9.868 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.155 -11.375 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.036 -10.285 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.837 -10.622 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.316 -11.459 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.572 -12.293 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.132 -9.111 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.758 -8.430 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.894 -9.536 -3.562 1.00 0.00 H new ATOM 396 N VAL A 261 0.412 -11.803 -4.303 1.00 0.00 N ATOM 397 CA VAL A 261 1.229 -12.329 -5.384 1.00 0.00 C ATOM 398 C VAL A 261 2.041 -13.520 -4.869 1.00 0.00 C ATOM 399 O VAL A 261 2.508 -14.341 -5.656 1.00 0.00 O ATOM 400 CB VAL A 261 2.104 -11.217 -5.966 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.265 -11.799 -6.773 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.272 -10.255 -6.819 1.00 0.00 C ATOM 0 H VAL A 261 0.699 -10.887 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 261 0.601 -12.690 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 261 2.524 -10.651 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.871 -10.987 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.880 -12.425 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.873 -12.400 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 261 1.917 -9.474 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.811 -10.803 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.495 -9.802 -6.203 1.00 0.00 H new ATOM 412 N GLU A 262 2.183 -13.575 -3.554 1.00 0.00 N ATOM 413 CA GLU A 262 2.852 -14.698 -2.919 1.00 0.00 C ATOM 414 C GLU A 262 1.911 -15.900 -2.838 1.00 0.00 C ATOM 415 O GLU A 262 2.313 -17.029 -3.122 1.00 0.00 O ATOM 416 CB GLU A 262 3.374 -14.313 -1.534 1.00 0.00 C ATOM 417 CG GLU A 262 4.610 -13.417 -1.641 1.00 0.00 C ATOM 418 CD GLU A 262 5.110 -13.007 -0.255 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.542 -12.094 0.364 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.127 -13.671 0.178 1.00 0.00 O ATOM 0 H GLU A 262 1.846 -12.860 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 262 3.711 -14.977 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.592 -13.795 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.621 -15.213 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.400 -13.944 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.370 -12.527 -2.223 1.00 0.00 H new ATOM 428 N LEU A 263 0.677 -15.620 -2.447 1.00 0.00 N ATOM 429 CA LEU A 263 -0.275 -16.679 -2.155 1.00 0.00 C ATOM 430 C LEU A 263 -0.797 -17.266 -3.469 1.00 0.00 C ATOM 431 O LEU A 263 -1.042 -18.468 -3.560 1.00 0.00 O ATOM 432 CB LEU A 263 -1.379 -16.166 -1.229 1.00 0.00 C ATOM 433 CG LEU A 263 -0.951 -15.823 0.199 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.008 -14.963 0.896 1.00 0.00 C ATOM 435 CD2 LEU A 263 -0.628 -17.089 0.994 1.00 0.00 C ATOM 0 H LEU A 263 0.314 -14.675 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 263 0.211 -17.491 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.819 -15.276 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.165 -16.920 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.036 -15.232 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.679 -14.733 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.147 -14.036 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -2.952 -15.507 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.327 -16.817 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.511 -17.726 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 263 0.184 -17.628 0.506 1.00 0.00 H new